SCHEMBL7745704

SCHEMBL7745704

CC(C)CCn1c(CN2C(=O)C(CC(=O)NCc3ccccc3)c3ccccc32)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7746011 0.92 GAA (0.49) LMNATSHRMAPK1GAAPOLB
SCHEMBL7745735 0.88 TSHR (0.49) LMNATSHRMAPK1GAAPOLB
SCHEMBL7745801 0.87 TSHR (0.43) LMNATSHRHTTMAPK1GAA
SCHEMBL7741006 0.84 TSHR (0.47) LMNATSHRHTTMAPK1GAA
SCHEMBL7741104 0.80 TSHR (0.55) LMNATSHRHTTMAPK1POLB
SCHEMBL3822957 0.74 TSHR (0.49) LMNATSHRHTTMAPK1GAA
SCHEMBL2880216 0.70 TSHR (0.48) LMNATSHRMAPK1GAAPOLB
SCHEMBL7740569 0.69 TSHR (0.53) LMNATSHRMAPK1POLBMEN1
SCHEMBL16163238 0.69 TSHR (0.53) TSHRMAPK1
SCHEMBL7740565 0.69 TSHR (0.43) LMNATSHRMAPK1GAAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed